Physicochemical Descriptor Prediction on PubChem 5k (test)
0.996MW Pearson CorrelationMolSight
Evaluation results
| Method | Links | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| MolSightMethod Category=Molecular specialist VLMs2026.07 | 0.996 | 1.78 | 0.97 | 0.3 | 0.999 | 0.96 | 0.996 | 0.01 | 0.99 | 0.09 | 0.99 | 0.25 | 0.94 | 0.05 | 0.984 | 0.49 | |
| ChempropMethod Category=Task-specific traditional models2026.07 | 0.99 | 1.63 | 0.98 | 0.16 | 0.99 | 0.91 | 0.99 | 0.03 | 0.99 | 0.03 | 0.99 | 0.05 | 0.89 | 0.07 | 0.974 | 0.41 | |
| ChemMLLM-34BMethod Category=Molecular specialist VLMs, Parameters=34B2026.07 | 0.98 | 11.57 | 0.93 | 0.53 | 0.98 | 3.54 | 0.96 | 0.11 | 0.96 | 0.53 | 0.97 | 0.75 | 0.93 | 0.05 | 0.959 | 2.43 | |
| ChemMLLM-7BMethod Category=Molecular specialist VLMs, Parameters=7B2026.07 | 0.97 | 16.17 | 0.92 | 0.7 | 0.97 | 6.06 | 0.96 | 0.13 | 0.94 | 0.79 | 0.94 | 1.62 | 0.91 | 0.06 | 0.944 | 3.64 | |
| ChemceptionMethod Category=Task-specific traditional models2026.07 | 0.87 | 44.75 | 0.62 | 1.23 | 0.84 | 14.45 | 0.81 | 0.58 | 0.84 | 0.29 | 0.73 | 7.57 | -0.004 | 0.4 | 0.673 | 9.9 | |
| ChemVLM-8BMethod Category=Molecular specialist VLMs, Parameters=8B2026.07 | 0.84 | 56.94 | 0.38 | 1.68 | 0.26 | 53.66 | 0.49 | 1.35 | 0.32 | 27.27 | 0.1 | 45.88 | -0.003 | 0.24 | 0.341 | 26.72 | |
| Qwen-VL-7BMethod Category=Generalist VLMs, Parameters=7B2026.07 | 0.78 | 58.07 | 0.14 | 1.48 | 0.19 | 82.83 | -0.02 | 1.42 | 0.05 | 30.56 | 0.19 | 145.4 | 0 | — | 0.19 | — | |
| InternVL-20BMethod Category=Generalist VLMs, Parameters=20B2026.07 | 0.59 | 83.6 | 0.04 | 2.37 | 0.29 | 28.73 | 0.03 | 2.24 | 0.04 | 10.24 | 0.04 | 43.67 | 0.003 | 4.01 | 0.147 | 24.98 | |
| LLaVA-7BMethod Category=Generalist VLMs, Parameters=7B2026.07 | 0.36 | 115.7 | -0.003 | 1.61 | 0.01 | 99.14 | 0.004 | 3.74 | 0.04 | 23.71 | 0.04 | 39.99 | -0.11 | 24.53 | 0.049 | 44.06 |